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Title: Materials Data on K2PdN2(ClO2)2 by Materials Project

Abstract

K2PdN2(O2Cl)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.81–3.24 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.67 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.86–3.34 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.68 Å. Pd2+ is bonded in a distorted linear geometry to two Cl1- atoms. Both Pd–Cl bond lengths are 2.34 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are four inequivalent O2- sites. Inmore » the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one N3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Pd2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Pd2+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-655297
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2PdN2(ClO2)2; Cl-K-N-O-Pd
OSTI Identifier:
1281304
DOI:
10.17188/1281304

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2PdN2(ClO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281304.
Persson, Kristin, & Project, Materials. Materials Data on K2PdN2(ClO2)2 by Materials Project. United States. doi:10.17188/1281304.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2PdN2(ClO2)2 by Materials Project". United States. doi:10.17188/1281304. https://www.osti.gov/servlets/purl/1281304. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281304,
title = {Materials Data on K2PdN2(ClO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2PdN2(O2Cl)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.81–3.24 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.67 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to five O2- and four Cl1- atoms. There are a spread of K–O bond distances ranging from 2.86–3.34 Å. There are a spread of K–Cl bond distances ranging from 3.17–3.68 Å. Pd2+ is bonded in a distorted linear geometry to two Cl1- atoms. Both Pd–Cl bond lengths are 2.34 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one N3+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Pd2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Pd2+ atom.},
doi = {10.17188/1281304},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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